tert-butyl N-[3-[3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate

Systemtic Name: tert-butyl N-[3-[3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate Openeye Name: tert-butyl N-[3-[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate CAS Name: N-[3-[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate Traditional Name: N-[3-[3-(2-keto-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamic acid tert-butyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CC1=CC(=CC=C1)C2=NCC(=O)N(C3=CC(=C(C=C32)OC)OC)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CC1=CC(=CC=C1)C2=NCC(=O)N(C3=CC(=C(C=C32)OC)OC)C

InChI

InChI=1S/C26H29N3O5/c1-26(2,3)34-25(31)27-12-8-10-17-9-7-11-18(13-17)24-19-14-21(32-5)22(33-6)15-20(19)29(4)23(30)16-28-24/h7,9,11,13-15H,12,16H2,1-6H3,(H,27,31)